E3W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C1 | sing | 1.38Å | 1.45Å | |
| N2 | C1 | doub | 1.31Å | 1.32Å | Aromatic |
| N2 | C2 | sing | 1.34Å | 1.40Å | Aromatic |
| C1 | N1 | sing | 1.36Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | N4 | sing | 1.39Å | 1.45Å | |
| C2 | N6 | doub | 1.31Å | 1.35Å | Aromatic |
| N4 | C6 | sing | 1.40Å | 1.44Å | |
| N1 | C9 | sing | 1.35Å | 1.43Å | |
| N1 | N6 | sing | 1.40Å | 1.36Å | Aromatic |
| O3 | C9 | doub | 1.22Å | 1.20Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | N7 | sing | 1.35Å | 1.44Å | |
| C15 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C29 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| N7 | C13 | sing | 1.40Å | 1.43Å | |
| C21 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C27 | C23 | sing | 1.51Å | 1.53Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| N5 | S1 | sing | 1.66Å | 1.71Å | |
| C23 | O6 | sing | 1.43Å | 1.40Å | |
| C3 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | S1 | sing | 1.76Å | 1.80Å | |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | C19 | sing | 1.48Å | 1.51Å | |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| S1 | O1 | doub | 1.42Å | 1.46Å | |
| C16 | O6 | sing | 1.36Å | 1.40Å | |
| C16 | C17 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C22 | sing | 1.47Å | 1.52Å | |
| C22 | O4 | doub | 1.21Å | 1.26Å | |
| C22 | O5 | sing | 1.35Å | 1.26Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| O5 | H2 | sing | 0.97Å | 0.95Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C12 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C21 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C28 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C4 | H18 | sing | 1.08Å | 1.08Å | |
| C5 | H19 | sing | 1.08Å | 1.08Å | |
| C7 | H20 | sing | 1.08Å | 1.08Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| N3 | H22 | sing | 0.97Å | 1.00Å | |
| N5 | H23 | sing | 0.97Å | 1.00Å | |
| N5 | H24 | sing | 0.97Å | 1.00Å | |
| N7 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C1 | N2 | 127.4° | 126.1° |
| N3 | C1 | N1 | 126.0° | 126.1° |
| C1 | N3 | H21 | 109.5° | 120.0° |
| C1 | N3 | H22 | 109.5° | 120.0° |
| C1 | N2 | C2 | 108.8° | 109.8° |
| N2 | C1 | N1 | 106.6° | 107.8° |
| N2 | C2 | N4 | 122.8° | 125.4° |
| N2 | C2 | N6 | 108.6° | 109.2° |
| C1 | N1 | C9 | 125.3° | 126.9° |
| C1 | N1 | N6 | 109.8° | 106.3° |
| C26 | C25 | C24 | 119.7° | 120.0° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | H9 | 119.9° | 120.0° |
| C26 | C25 | H15 | 120.2° | 120.0° |
| C25 | C24 | C29 | 120.1° | 120.0° |
| C25 | C24 | H14 | 120.0° | 120.0° |
| C24 | C25 | H15 | 120.1° | 120.0° |
| N4 | C2 | N6 | 128.6° | 125.4° |
| C2 | N4 | C6 | 126.0° | 120.0° |
| C2 | N4 | H1 | 117.0° | 120.0° |
| C2 | N6 | N1 | 106.2° | 107.0° |
| N4 | C6 | C5 | 117.4° | 120.1° |
| N4 | C6 | C7 | 121.1° | 120.1° |
| C6 | N4 | H1 | 117.0° | 120.0° |
| C9 | N1 | N6 | 124.9° | 126.9° |
| N1 | C9 | O3 | 121.5° | 120.0° |
| N1 | C9 | N7 | 113.4° | 120.0° |
| O3 | C9 | N7 | 125.0° | 120.0° |
| C26 | C27 | C23 | 120.3° | 119.9° |
| C26 | C27 | C28 | 120.3° | 120.1° |
| C27 | C26 | H9 | 119.9° | 120.0° |
| C6 | C5 | C4 | 119.0° | 119.9° |
| C5 | C6 | C7 | 121.4° | 119.8° |
| C6 | C5 | H19 | 120.5° | 120.0° |
| C5 | C4 | C3 | 119.2° | 120.1° |
| C5 | C4 | H18 | 120.4° | 119.9° |
| C4 | C5 | H19 | 120.5° | 120.1° |
| C15 | C14 | C13 | 120.4° | 120.0° |
| C14 | C15 | C10 | 118.3° | 120.0° |
| C15 | C14 | H6 | 119.8° | 120.0° |
| C14 | C15 | H10 | 120.9° | 120.0° |
| C14 | C13 | N7 | 116.4° | 120.0° |
| C14 | C13 | C12 | 121.9° | 120.1° |
| C13 | C14 | H6 | 119.8° | 120.0° |
| C9 | N7 | C13 | 122.4° | 120.0° |
| C9 | N7 | H25 | 118.8° | 120.0° |
| C15 | C10 | C19 | 117.5° | 120.0° |
| C15 | C10 | C11 | 121.9° | 119.9° |
| C10 | C15 | H10 | 120.8° | 120.0° |
| C6 | C7 | C8 | 119.6° | 119.9° |
| C6 | C7 | H20 | 120.2° | 120.0° |
| C24 | C29 | C28 | 120.6° | 120.0° |
| C29 | C24 | H14 | 120.0° | 120.0° |
| C24 | C29 | H17 | 119.7° | 120.0° |
| C4 | C3 | C8 | 121.8° | 120.1° |
| C4 | C3 | S1 | 118.7° | 120.0° |
| C3 | C4 | H18 | 120.4° | 120.0° |
| C21 | C20 | C19 | 119.6° | 120.2° |
| C20 | C21 | C16 | 119.5° | 120.2° |
| C21 | C20 | H12 | 120.2° | 119.8° |
| C20 | C21 | H13 | 120.3° | 119.9° |
| C20 | C19 | C10 | 120.5° | 119.9° |
| C20 | C19 | C18 | 121.1° | 120.1° |
| C19 | C20 | H12 | 120.2° | 119.9° |
| N7 | C13 | C12 | 121.5° | 120.0° |
| C13 | N7 | H25 | 118.8° | 120.0° |
| C21 | C16 | O6 | 121.5° | 120.1° |
| C21 | C16 | C17 | 120.4° | 119.9° |
| C16 | C21 | H13 | 120.2° | 119.9° |
| C23 | C27 | C28 | 119.4° | 120.0° |
| C27 | C23 | O6 | 107.8° | 109.4° |
| C27 | C23 | H7 | 109.9° | 109.5° |
| C27 | C23 | H8 | 109.9° | 109.5° |
| C27 | C28 | C29 | 119.3° | 120.0° |
| C27 | C28 | H16 | 120.4° | 120.1° |
| C13 | C12 | C11 | 117.4° | 120.1° |
| C13 | C12 | H5 | 121.3° | 119.9° |
| C7 | C8 | C3 | 118.9° | 120.1° |
| C7 | C8 | H3 | 120.5° | 119.9° |
| C8 | C7 | H20 | 120.2° | 120.1° |
| N5 | S1 | C3 | 107.5° | 107.2° |
| N5 | S1 | O2 | 114.0° | 106.4° |
| N5 | S1 | O1 | 112.4° | 106.4° |
| S1 | N5 | H23 | 109.5° | 120.0° |
| S1 | N5 | H24 | 109.5° | 120.0° |
| C23 | O6 | C16 | 113.9° | 117.0° |
| O6 | C23 | H7 | 109.9° | 109.5° |
| O6 | C23 | H8 | 109.9° | 109.5° |
| C8 | C3 | S1 | 119.5° | 119.9° |
| C3 | C8 | H3 | 120.6° | 120.0° |
| C3 | S1 | O2 | 110.5° | 106.4° |
| C3 | S1 | O1 | 110.9° | 106.4° |
| C29 | C28 | H16 | 120.4° | 120.0° |
| C28 | C29 | H17 | 119.7° | 120.0° |
| C19 | C10 | C11 | 120.7° | 120.1° |
| C10 | C19 | C18 | 118.4° | 120.0° |
| C10 | C11 | C12 | 120.1° | 120.0° |
| C10 | C11 | H4 | 120.0° | 120.0° |
| O2 | S1 | O1 | 101.6° | 123.1° |
| C19 | C18 | C17 | 119.4° | 119.8° |
| C19 | C18 | H11 | 120.3° | 120.1° |
| O6 | C16 | C17 | 118.1° | 120.0° |
| C16 | C17 | C18 | 120.1° | 119.7° |
| C16 | C17 | C22 | 119.4° | 120.1° |
| C12 | C11 | H4 | 120.0° | 120.0° |
| C11 | C12 | H5 | 121.3° | 120.0° |
| C18 | C17 | C22 | 120.5° | 120.2° |
| C17 | C18 | H11 | 120.3° | 120.1° |
| C17 | C22 | O4 | 119.0° | 120.1° |
| C17 | C22 | O5 | 119.9° | 120.0° |
| O4 | C22 | O5 | 121.1° | 120.0° |
| C22 | O5 | H2 | 109.5° | 117.0° |
| H7 | C23 | H8 | 109.4° | 109.5° |
| H21 | N3 | H22 | 109.5° | 120.0° |
| H23 | N5 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C1 | N2 | N1 | 179.8° | 179.7° |
| N3 | C1 | N2 | C2 | 179.5° | 179.7° |
| N3 | C1 | N1 | C9 | 0.2° | 0.3° |
| N3 | C1 | N1 | N6 | 179.8° | 179.7° |
| C1 | N3 | H21 | H22 | 120.0° | 180.0° |
| C1 | N2 | C2 | N4 | 179.6° | 180.0° |
| C1 | N2 | C2 | N6 | 0.4° | 0.0° |
| N2 | C1 | N1 | C9 | 180.0° | 180.0° |
| N2 | C1 | N1 | N6 | 0.1° | 0.0° |
| N2 | C1 | N3 | H21 | 0.0° | 179.6° |
| N2 | C1 | N3 | H22 | 120.0° | 0.3° |
| C2 | N2 | C1 | N1 | 0.3° | 0.0° |
| N2 | C2 | N4 | N6 | 180.0° | 179.9° |
| N2 | C2 | N4 | C6 | 178.5° | 5.6° |
| N2 | C2 | N6 | N1 | 0.4° | 0.0° |
| N2 | C2 | N4 | H1 | 1.5° | 174.4° |
| C1 | N1 | N6 | C2 | 0.2° | 0.0° |
| C1 | N1 | C9 | N6 | 179.9° | 180.0° |
| C1 | N1 | C9 | O3 | 0.6° | 0.0° |
| C1 | N1 | C9 | N7 | 179.2° | 180.0° |
| N1 | C1 | N3 | H21 | 179.8° | 0.0° |
| N1 | C1 | N3 | H22 | 59.8° | 180.0° |
| C26 | C25 | C24 | H15 | 180.0° | 180.0° |
| C25 | C26 | C27 | H9 | 180.0° | 179.8° |
| C26 | C25 | C24 | C29 | 0.8° | 0.6° |
| C25 | C26 | C27 | C23 | 179.8° | 179.8° |
| C25 | C26 | C27 | C28 | 0.0° | 0.3° |
| C26 | C25 | C24 | H14 | 179.2° | 179.7° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C25 | C24 | C29 | H14 | 180.0° | 179.1° |
| C25 | C24 | C29 | C28 | 0.7° | 0.9° |
| C24 | C25 | C26 | H9 | 179.5° | 179.8° |
| C25 | C24 | C29 | H17 | 179.3° | 180.0° |
| C2 | N4 | C6 | H1 | 180.0° | 180.0° |
| N4 | C2 | N6 | N1 | 179.7° | 180.0° |
| C2 | N4 | C6 | C5 | 159.3° | 149.2° |
| C2 | N4 | C6 | C7 | 21.3° | 31.0° |
| N6 | C2 | N4 | C6 | 1.4° | 174.4° |
| C2 | N6 | N1 | C9 | 179.8° | 180.0° |
| N6 | C2 | N4 | H1 | 178.6° | 5.6° |
| N4 | C6 | C5 | C7 | 179.3° | 179.8° |
| N4 | C6 | C5 | C4 | 179.8° | 180.0° |
| N4 | C6 | C7 | C8 | 179.7° | 179.7° |
| N4 | C6 | C5 | H19 | 0.3° | 0.2° |
| N4 | C6 | C7 | H20 | 0.3° | 0.1° |
| N1 | C9 | O3 | N7 | 178.4° | 180.0° |
| N1 | C9 | N7 | C13 | 177.6° | 174.8° |
| N1 | C9 | N7 | H25 | 2.5° | 5.2° |
| N6 | N1 | C9 | O3 | 179.3° | 180.0° |
| N6 | N1 | C9 | N7 | 0.7° | 0.0° |
| O3 | C9 | N7 | C13 | 3.9° | 5.2° |
| O3 | C9 | N7 | H25 | 176.0° | 174.8° |
| C26 | C27 | C23 | C28 | 179.8° | 179.9° |
| C26 | C27 | C23 | O6 | 176.8° | 90.0° |
| C26 | C27 | C28 | C29 | 0.0° | 0.0° |
| C26 | C27 | C23 | H7 | 63.5° | 150.0° |
| C26 | C27 | C23 | H8 | 57.0° | 30.0° |
| C27 | C26 | C25 | H15 | 179.5° | 180.0° |
| C26 | C27 | C28 | H16 | 179.9° | 180.0° |
| C6 | C5 | C4 | H19 | 180.0° | 179.8° |
| C6 | C5 | C4 | C3 | 0.0° | 0.0° |
| C5 | C6 | C7 | C8 | 1.0° | 0.4° |
| C5 | C6 | N4 | H1 | 20.7° | 30.9° |
| C6 | C5 | C4 | H18 | 180.0° | 180.0° |
| C5 | C6 | C7 | H20 | 179.0° | 179.7° |
| C4 | C5 | C6 | C7 | 0.4° | 0.2° |
| C5 | C4 | C3 | H18 | 180.0° | 179.9° |
| C5 | C4 | C3 | C8 | 0.0° | 0.1° |
| C5 | C4 | C3 | S1 | 179.5° | 179.7° |
| C15 | C14 | C13 | H6 | 180.0° | 179.7° |
| C14 | C15 | C10 | H10 | 180.0° | 179.8° |
| C15 | C14 | C13 | N7 | 178.5° | 180.0° |
| C15 | C14 | C13 | C12 | 3.4° | 0.0° |
| C14 | C15 | C10 | C19 | 179.9° | 179.8° |
| C14 | C15 | C10 | C11 | 1.0° | 0.5° |
| C14 | C13 | N7 | C9 | 46.9° | 33.7° |
| C13 | C14 | C15 | C10 | 2.4° | 0.3° |
| C14 | C13 | N7 | C12 | 175.1° | 180.0° |
| C14 | C13 | C12 | C11 | 2.9° | 0.1° |
| C14 | C13 | C12 | H5 | 177.1° | 180.0° |
| C13 | C14 | C15 | H10 | 177.6° | 180.0° |
| C14 | C13 | N7 | H25 | 133.1° | 146.4° |
| C9 | N7 | C13 | H25 | 180.0° | 180.0° |
| C9 | N7 | C13 | C12 | 138.0° | 146.3° |
| C15 | C10 | C19 | C20 | 39.0° | 179.8° |
| C15 | C10 | C19 | C11 | 179.0° | 179.7° |
| C15 | C10 | C19 | C18 | 139.9° | 0.3° |
| C15 | C10 | C11 | C12 | 0.5° | 0.6° |
| C15 | C10 | C11 | H4 | 179.5° | 179.8° |
| C10 | C15 | C14 | H6 | 177.6° | 180.0° |
| C6 | C7 | C8 | H20 | 180.0° | 179.8° |
| C6 | C7 | C8 | C3 | 1.0° | 0.5° |
| C7 | C6 | N4 | H1 | 158.7° | 149.0° |
| C6 | C7 | C8 | H3 | 179.0° | 179.5° |
| C7 | C6 | C5 | H19 | 179.6° | 180.0° |
| C24 | C29 | C28 | C27 | 0.3° | 0.6° |
| C24 | C29 | C28 | H17 | 180.0° | 179.1° |
| C29 | C24 | C25 | H15 | 179.2° | 179.4° |
| C24 | C29 | C28 | H16 | 179.7° | 179.4° |
| C4 | C3 | C8 | C7 | 0.6° | 0.3° |
| C4 | C3 | S1 | N5 | 111.0° | 90.3° |
| C4 | C3 | C8 | S1 | 179.4° | 179.7° |
| C4 | C3 | S1 | O2 | 14.0° | 156.1° |
| C4 | C3 | S1 | O1 | 125.8° | 23.2° |
| C4 | C3 | C8 | H3 | 179.4° | 179.7° |
| C3 | C4 | C5 | H19 | 179.9° | 179.8° |
| C21 | C20 | C19 | H12 | 180.0° | 179.4° |
| C20 | C21 | C16 | H13 | 180.0° | 179.5° |
| C21 | C20 | C19 | C10 | 179.4° | 179.7° |
| C21 | C20 | C19 | C18 | 0.5° | 0.3° |
| C20 | C21 | C16 | O6 | 179.4° | 179.7° |
| C20 | C21 | C16 | C17 | 0.5° | 0.5° |
| C19 | C20 | C21 | C16 | 0.4° | 0.5° |
| C20 | C19 | C10 | C18 | 178.9° | 180.0° |
| C20 | C19 | C10 | C11 | 142.0° | 0.1° |
| C20 | C19 | C18 | C17 | 0.8° | 0.1° |
| C20 | C19 | C18 | H11 | 179.2° | 180.0° |
| C19 | C20 | C21 | H13 | 179.6° | 180.0° |
| N7 | C13 | C12 | C11 | 177.7° | 180.0° |
| N7 | C13 | C12 | H5 | 2.3° | 0.0° |
| N7 | C13 | C14 | H6 | 1.5° | 0.3° |
| C21 | C16 | O6 | C23 | 27.3° | 0.3° |
| C21 | C16 | O6 | C17 | 179.9° | 179.7° |
| C21 | C16 | C17 | C18 | 0.7° | 0.3° |
| C21 | C16 | C17 | C22 | 179.9° | 179.8° |
| C16 | C21 | C20 | H12 | 179.6° | 180.0° |
| C27 | C23 | O6 | H7 | 119.7° | 120.0° |
| C27 | C23 | O6 | H8 | 119.8° | 120.0° |
| C23 | C27 | C28 | C29 | 179.9° | 179.9° |
| C27 | C23 | O6 | C16 | 108.8° | 180.0° |
| C27 | C23 | H7 | H8 | 120.8° | 120.0° |
| C23 | C27 | C26 | H9 | 0.2° | 0.0° |
| C23 | C27 | C28 | H16 | 0.1° | 0.0° |
| C28 | C27 | C23 | O6 | 3.4° | 90.0° |
| C27 | C28 | C29 | H16 | 180.0° | 180.0° |
| C28 | C27 | C23 | H7 | 116.3° | 29.9° |
| C28 | C27 | C23 | H8 | 123.2° | 150.0° |
| C28 | C27 | C26 | H9 | 179.9° | 179.9° |
| C27 | C28 | C29 | H17 | 179.7° | 179.7° |
| C13 | C12 | C11 | C10 | 1.4° | 0.3° |
| C13 | C12 | C11 | H5 | 180.0° | 179.9° |
| C13 | C12 | C11 | H4 | 178.6° | 180.0° |
| C12 | C13 | C14 | H6 | 176.5° | 179.8° |
| C12 | C13 | N7 | H25 | 42.0° | 33.7° |
| C7 | C8 | C3 | H3 | 180.0° | 180.0° |
| C7 | C8 | C3 | S1 | 180.0° | 180.0° |
| N5 | S1 | C3 | C8 | 68.5° | 90.0° |
| N5 | S1 | C3 | O2 | 125.0° | 113.6° |
| N5 | S1 | C3 | O1 | 123.2° | 113.5° |
| N5 | S1 | O2 | O1 | 121.1° | 123.0° |
| S1 | N5 | H23 | H24 | 120.0° | 179.9° |
| C23 | O6 | C16 | C17 | 152.6° | 180.0° |
| O6 | C23 | H7 | H8 | 120.8° | 120.0° |
| C8 | C3 | S1 | O2 | 166.5° | 23.6° |
| C8 | C3 | S1 | O1 | 54.7° | 156.4° |
| C8 | C3 | C4 | H18 | 180.0° | 180.0° |
| C3 | C8 | C7 | H20 | 179.0° | 179.7° |
| C3 | S1 | O2 | O1 | 117.7° | 122.9° |
| S1 | C3 | C8 | H3 | 0.0° | 0.0° |
| S1 | C3 | C4 | H18 | 0.5° | 0.3° |
| C3 | S1 | N5 | H23 | 180.0° | 150.0° |
| C3 | S1 | N5 | H24 | 60.0° | 30.1° |
| C28 | C29 | C24 | H14 | 179.3° | 180.0° |
| C19 | C10 | C11 | C12 | 179.4° | 179.7° |
| C10 | C19 | C18 | C17 | 179.7° | 180.0° |
| C19 | C10 | C11 | H4 | 0.5° | 0.1° |
| C19 | C10 | C15 | H10 | 0.1° | 0.0° |
| C10 | C19 | C18 | H11 | 0.3° | 0.0° |
| C10 | C19 | C20 | H12 | 0.6° | 0.3° |
| C11 | C10 | C19 | C18 | 39.0° | 180.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.7° |
| C10 | C11 | C12 | H5 | 178.6° | 179.7° |
| C11 | C10 | C15 | H10 | 179.0° | 179.7° |
| O2 | S1 | N5 | H23 | 57.2° | 96.4° |
| O2 | S1 | N5 | H24 | 62.8° | 83.5° |
| C19 | C18 | C17 | C16 | 0.9° | 0.1° |
| C19 | C18 | C17 | H11 | 180.0° | 180.0° |
| C19 | C18 | C17 | C22 | 179.8° | 180.0° |
| C18 | C19 | C20 | H12 | 179.5° | 179.7° |
| O1 | S1 | N5 | H23 | 57.7° | 36.5° |
| O1 | S1 | N5 | H24 | 177.7° | 143.6° |
| O6 | C16 | C17 | C18 | 179.2° | 180.0° |
| O6 | C16 | C17 | C22 | 0.2° | 0.1° |
| C16 | O6 | C23 | H7 | 131.5° | 60.0° |
| C16 | O6 | C23 | H8 | 11.0° | 60.0° |
| O6 | C16 | C21 | H13 | 0.6° | 0.3° |
| C16 | C17 | C18 | C22 | 179.4° | 179.9° |
| C16 | C17 | C22 | O4 | 122.6° | 0.0° |
| C16 | C17 | C22 | O5 | 56.5° | 180.0° |
| C16 | C17 | C18 | H11 | 179.1° | 179.9° |
| C17 | C16 | C21 | H13 | 179.5° | 180.0° |
| C18 | C17 | C22 | O4 | 56.7° | 179.9° |
| C18 | C17 | C22 | O5 | 124.1° | 0.1° |
| C17 | C22 | O4 | O5 | 179.1° | 180.0° |
| C17 | C22 | O5 | H2 | 179.1° | 180.0° |
| C22 | C17 | C18 | H11 | 0.2° | 0.0° |
| O4 | C22 | O5 | H2 | 0.0° | 0.0° |
| H3 | C8 | C7 | H20 | 1.0° | 0.3° |
| H4 | C11 | C12 | H5 | 1.4° | 0.1° |
| H6 | C14 | C15 | H10 | 2.4° | 0.2° |
| H9 | C26 | C25 | H15 | 0.5° | 0.2° |
| H12 | C20 | C21 | H13 | 0.4° | 0.5° |
| H14 | C24 | C25 | H15 | 0.8° | 0.3° |
| H14 | C24 | C29 | H17 | 0.8° | 0.9° |
| H16 | C28 | C29 | H17 | 0.3° | 0.3° |
| H18 | C4 | C5 | H19 | 0.0° | 0.3° |
